| Record Information |
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| HMDB Status | Not Available |
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| Creation Date | 2024-02-21 15:11:32 UTC |
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| Update Date | 2025-03-25 00:57:57 UTC |
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| HMDB ID | Not Available |
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| Metabolite Identification |
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| DeepMet ID | DMID02227779 |
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| Frequency | 0.5 |
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| Structure | |
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| Chemical Formula | C12H18N2O6S |
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| Molecular Mass | 318.0886 |
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| SMILES | CC(=O)C=CSCC(NC(=O)CCC(N)C(=O)O)C(=O)O |
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| InChI Key | KSRIBPDUYVGKOD-UHFFFAOYSA-N |
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| Chemical Taxonomy |
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| Kingdom | organic compounds |
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| Superclass | organic acids and derivatives |
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| Class | carboxylic acids and derivatives |
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| Subclass | amino acids, peptides, and analogues |
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| Direct Parent | dipeptides |
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| Geometric Descriptor | aliphatic acyclic compounds |
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| Alternative Parents | acryloyl compoundsalpha amino acidscarboxylic acidscysteine and derivativesdicarboxylic acids and derivativesenonesglutamine and derivativeshydrocarbon derivativesketonesmonoalkylaminesn-acyl aminesn-acyl-alpha amino acidsorganic oxidesorganonitrogen compoundsorganopnictogen compoundssecondary carboxylic acid amidessulfenyl compoundsthioenol ethersvinylogous thioesters |
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| Substituents | fatty acylaliphatic acyclic compoundcarbonyl groupcarboxylic acidglutamine or derivativesfatty amidealpha-amino acid or derivativesalpha,beta-unsaturated ketoneorganosulfur compoundketoneorganic oxideorganonitrogen compoundalpha-amino acidorganopnictogen compoundn-acyl-alpha amino acid or derivativesenonevinylogous thioestersulfenyl compoundn-acyl-alpha-amino acidcarboxamide groupn-acyl-aminealpha-dipeptidesecondary carboxylic acid amidethioenoletherorganic oxygen compoundcysteine or derivativesdicarboxylic acid or derivativeshydrocarbon derivativeacryloyl-groupprimary aliphatic amineorganic nitrogen compoundorganooxygen compound |
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